8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine

C104H70N2S2 — CID 163980178

IUPAC8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4sc5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5c4c3)cc2)cc1
InChIInChI=1S/C55H37NS.C49H33NS/c1-4-14-38(15-5-1)40-24-29-44(30-25-40)56(45-31-26-41(27-32-45)39-16-6-2-7-17-39)46-33-35-54-50(37-46)49-36-43(28-34-53(49)57-54)55(42-18-8-3-9-19-42)51-22-12-10-20-47(51)48-21-11-13-23-52(48)55;1-4-14-34(15-5-1)35-24-27-39(28-25-35)50(38-18-8-3-9-19-38)40-29-31-48-44(33-40)43-32-37(26-30-47(43)51-48)49(36-16-6-2-7-17-36)45-22-12-10-20-41(45)42-21-11-13-23-46(42)49/h1-37H;1-33H
InChIKeySXRKURJKYBSGHO-UHFFFAOYSA-N
MW1411.85 g/mol
LogP28.78
Rot. Bonds13

About 8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine

8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine (PubChem CID 163980178) has the molecular formula C104H70N2S2 and a molecular weight of 1411.85 g/mol. Its IUPAC name is 8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound Name8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
PubChem CID163980178
Molecular FormulaC104H70N2S2
Molecular Weight1411.85 g/mol
Exact Mass1410.50
IUPAC Name8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4sc5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5c4c3)cc2)cc1
InChIInChI=1S/C55H37NS.C49H33NS/c1-4-14-38(15-5-1)40-24-29-44(30-25-40)56(45-31-26-41(27-32-45)39-16-6-2-7-17-39)46-33-35-54-50(37-46)49-36-43(28-34-53(49)57-54)55(42-18-8-3-9-19-42)51-22-12-10-20-47(51)48-21-11-13-23-52(48)55;1-4-14-34(15-5-1)35-24-27-39(28-25-35)50(38-18-8-3-9-19-38)40-29-31-48-44(33-40)43-32-37(26-30-47(43)51-48)49(36-16-6-2-7-17-36)45-22-12-10-20-41(45)42-21-11-13-23-46(42)49/h1-37H;1-33H
InChIKeySXRKURJKYBSGHO-UHFFFAOYSA-N
XLogP28.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001411.85
LogP ≤ 528.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine with MolForge

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Related Compounds

N,8-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
CID 138669021
8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzofuran-3-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 163747382
N-(9-dibenzothiophen-2-yl-9-phenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593365
9,9-dimethyl-N-[3-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 163676847
9-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593298
N-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 118004621
N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 163549331
N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381708
N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine
CID 118298288
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381480
3-N-dibenzothiophen-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096827
N,N-bis(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine
CID 163580869

Frequently Asked Questions

What is the IUPAC name of 8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The IUPAC name of 8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine (CID 163980178) is 8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for 8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for 8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4sc5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5c4c3)cc2)cc1.
What is the InChIKey of 8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The InChIKey is SXRKURJKYBSGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NS.C49H33NS/c1-4-14-38(15-5-1)40-24-29-44(30-25-40)56(45-31-26-41(27-32-45)39-16-6-2-7-17-39)46-33-35-54-50(37-46)49-36-43(28-34-53(49)57-54)55(42-18-8-3-9-19-42)51-22-12-10-20-47(51)48-21-11-13-23-52(48)55;1-4-14-34(15-5-1)35-24-27-39(28-25-35)50(38-18-8-3-9-19-38)40-29-31-48-44(33-40)43-32-37(26-30-47(43)51-48)49(36-16-6-2-7-17-36)45-22-12-10-20-41(45)42-21-11-13-23-46(42)49/h1-37H;1-33H.
What are the key properties of 8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine?
8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine has a molecular weight of 1411.85 g/mol, XLogP of 28.78, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 163980178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).